[gmx-users] trjconv with multiple chains
yilin3201 at 126.com
Fri Jan 7 03:17:14 CET 2011
I am doing a simulation that have many chains in a box , and I can find a center for them after serval tries.
I use almost every option of trjconv,-pbc mol,atom,res,whole,nojump , -ur compact, -center , -box to got bigger box, and -boxcenter, -fit ..
still some chain cannot convert into box. them jump from one box to another ,
is there any ways that they not jump to another box?
thanks a lot.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users